3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-1H-pyrazin-2-one

C11H20N4O — CID 114571037

IUPAC3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-1H-pyrazin-2-one
SMILESCC(C)CC(C)(CN)Nc1ncc[nH]c1=O
InChIInChI=1S/C11H20N4O/c1-8(2)6-11(3,7-12)15-9-10(16)14-5-4-13-9/h4-5,8H,6-7,12H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyFCPZEJOMGVJAHJ-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.95
Rot. Bonds5

About 3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-1H-pyrazin-2-one

3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-1H-pyrazin-2-one (PubChem CID 114571037) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-1H-pyrazin-2-one
PubChem CID114571037
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-1H-pyrazin-2-one
SMILESCC(C)CC(C)(CN)Nc1ncc[nH]c1=O
InChIInChI=1S/C11H20N4O/c1-8(2)6-11(3,7-12)15-9-10(16)14-5-4-13-9/h4-5,8H,6-7,12H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyFCPZEJOMGVJAHJ-UHFFFAOYSA-N
XLogP0.95
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-1H-pyrazin-2-one?
The IUPAC name of 3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-1H-pyrazin-2-one (CID 114571037) is 3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-1H-pyrazin-2-one?
The canonical SMILES for 3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-1H-pyrazin-2-one is CC(C)CC(C)(CN)Nc1ncc[nH]c1=O.
What is the InChIKey of 3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-1H-pyrazin-2-one?
The InChIKey is FCPZEJOMGVJAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8(2)6-11(3,7-12)15-9-10(16)14-5-4-13-9/h4-5,8H,6-7,12H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of 3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-1H-pyrazin-2-one?
3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-1H-pyrazin-2-one has a molecular weight of 224.31 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-1H-pyrazin-2-one is sourced from PubChem (CID 114571037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).